9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

C53H34N2 — CID 59782759

IUPAC9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C53H34N2/c1-2-16-37(17-3-1)54(39-29-31-52-46(33-39)45-21-9-13-25-51(45)55(52)38-27-26-35-14-4-5-15-36(35)32-38)40-28-30-44-43-20-8-12-24-49(43)53(50(44)34-40)47-22-10-6-18-41(47)42-19-7-11-23-48(42)53/h1-34H
InChIKeyZVKDGRPGHLFUEC-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.75
Rot. Bonds4

About 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 59782759) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
PubChem CID59782759
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C53H34N2/c1-2-16-37(17-3-1)54(39-29-31-52-46(33-39)45-21-9-13-25-51(45)55(52)38-27-26-35-14-4-5-15-36(35)32-38)40-28-30-44-43-20-8-12-24-49(43)53(50(44)34-40)47-22-10-6-18-41(47)42-19-7-11-23-48(42)53/h1-34H
InChIKeyZVKDGRPGHLFUEC-UHFFFAOYSA-N
XLogP13.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
N-naphthalen-1-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158680730
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The IUPAC name of 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (CID 59782759) is 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The InChIKey is ZVKDGRPGHLFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-2-16-37(17-3-1)54(39-29-31-52-46(33-39)45-21-9-13-25-51(45)55(52)38-27-26-35-14-4-5-15-36(35)32-38)40-28-30-44-43-20-8-12-24-49(43)53(50(44)34-40)47-22-10-6-18-41(47)42-19-7-11-23-48(42)53/h1-34H.
What are the key properties of 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine has a molecular weight of 698.87 g/mol, XLogP of 13.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is sourced from PubChem (CID 59782759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).